SCHEMBL6416698

SCHEMBL6416698

CN(C)c1cccc2c(S(=O)(=O)CCCCCCCCCCCCCCCCN)cccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.57
CYP1A2 P05177 1/20 0.52
CYP2C19 P33261 1/20 0.52
HTT P42858 1/20 0.52
HIF1A Q16665 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
F2 P00734 3/20 0.50
PRSS1 P07477 3/20 0.50
PRSS2 P07478 3/20 0.50
PRSS3 P35030 3/20 0.50
EDNRA P25101 7/20 0.48
KMT2A Q03164 1/20 0.47
ATM Q13315 1/20 0.47
HDAC4 P56524 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
KDM4E B2RXH2 1/20 0.42
NSD2 O96028 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2219412 0.89 CA2 (0.61) CA2CYP1A2CYP2C19HTTHIF1A
SCHEMBL1896953 0.88 CA2 (0.64) CA2CYP1A2CYP2C19HTTHIF1A
SCHEMBL16097557 0.86 CYP1A2 (0.58) CA2CYP1A2CYP2C19HTTHIF1A
Trifluoroacetic Acid SCHEMBL1164011 0.85 CA2 (0.50) CA2CYP1A2CYP2C19HTTHIF1A
SCHEMBL1890166 0.83 APEX1 (0.58) CA2CYP1A2CYP2C19HTTHIF1A
SCHEMBL4509393 0.83 APEX1 (0.58) CA2CYP1A2CYP2C19HTTHIF1A
SCHEMBL4778787 0.82 CA2 (0.56) CA2CYP1A2CYP2C19HTTHIF1A
SCHEMBL28726368 0.81 CA2 (0.71) CA2CYP1A2CYP2C19HTTHIF1A
SCHEMBL5508602 0.81 CYP1A2 (0.64) CA2CYP1A2CYP2C19HTTHIF1A
SCHEMBL3806560 0.81 CYP1A2 (0.63) CA2CYP1A2CYP2C19HTTHIF1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050274055-A1 Color-changing fishing equipment PURE FISHING, INC. 2005-12-15 US disclosed
US-5244813-A Fiber optic sensor, apparatus, and methods for detecting an organic analyte in a fluid or vapor sample TRUSTEES OF TUFTS COLLEGE (US) 1993-09-14 US disclosed